[
  {
    "molid": "mol33505",
    "smiles": "CN(C)NC(N)C(F)(F)F",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)N[C@@H](N)C(F)(F)F",
        "std_free_energy": -3.9924511909484863,
        "relative_population": 0.24630695073652417
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "CN(C)N[C@@H]([NH3+])C(F)(F)F",
        "std_free_energy": -5.064300537109375,
        "relative_population": 0.7194074388062558
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "CN(C)[NH2+][C@@H]([NH3+])C(F)(F)F",
        "std_free_energy": 2.515000820159912,
        "relative_population": 0.05922773231204536
      },
      {
        "id": "2_2",
        "charge": 2,
        "smiles": "C[NH+](C)[NH2+][C@@H](N)C(F)(F)F",
        "std_free_energy": -0.17884019017219543,
        "relative_population": 0.8758815752702758
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "C[NH+](C)N[C@@H]([NH3+])C(F)(F)F",
        "std_free_energy": 2.4236865043640137,
        "relative_population": 0.06489069241767892
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.97,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]